3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide

C14H17ClN2O4S — CID 90496345

IUPAC3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(O)c2cccn2C)cc1Cl
InChIInChI=1S/C14H17ClN2O4S/c1-17-7-3-4-12(17)13(18)9-16-22(19,20)10-5-6-14(21-2)11(15)8-10/h3-8,13,16,18H,9H2,1-2H3
InChIKeyUWUSHYYIYBKGCK-UHFFFAOYSA-N
MW344.82 g/mol
LogP1.70
Rot. Bonds6

About 3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide

3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 90496345) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is 3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide
PubChem CID90496345
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC Name3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(O)c2cccn2C)cc1Cl
InChIInChI=1S/C14H17ClN2O4S/c1-17-7-3-4-12(17)13(18)9-16-22(19,20)10-5-6-14(21-2)11(15)8-10/h3-8,13,16,18H,9H2,1-2H3
InChIKeyUWUSHYYIYBKGCK-UHFFFAOYSA-N
XLogP1.70
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide
CID 71781618
4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 71781621
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
4-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 90496301
2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide
CID 95982562
3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 37498470
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide
CID 90496616
3-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzenesulfonamide
CID 103835165
N'-(3-chloro-4-methoxyphenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 95982595
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)-4-methoxybenzenesulfonamide
CID 103835507
4-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-methoxybutanoic acid
CID 103153478
3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide
CID 112502230

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide (CID 90496345) is 3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(O)c2cccn2C)cc1Cl.
What is the InChIKey of 3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is UWUSHYYIYBKGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4S/c1-17-7-3-4-12(17)13(18)9-16-22(19,20)10-5-6-14(21-2)11(15)8-10/h3-8,13,16,18H,9H2,1-2H3.
What are the key properties of 3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide?
3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 344.82 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 90496345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).